2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one

C24H33N3O — CID 76732030

IUPAC2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
SMILESCc1cncc(C2=CCC3C4CCC5CC(=O)NCCC5(C)C4CCC23C)n1
InChIInChI=1S/C24H33N3O/c1-15-13-25-14-21(27-15)20-7-6-18-17-5-4-16-12-22(28)26-11-10-23(16,2)19(17)8-9-24(18,20)3/h7,13-14,16-19H,4-6,8-12H2,1-3H3,(H,26,28)
InChIKeyHCMZONIQIULXOI-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.55
Rot. Bonds1

About 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one

2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one (PubChem CID 76732030) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one.

Molecular Properties

Compound Name2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
PubChem CID76732030
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
SMILESCc1cncc(C2=CCC3C4CCC5CC(=O)NCCC5(C)C4CCC23C)n1
InChIInChI=1S/C24H33N3O/c1-15-13-25-14-21(27-15)20-7-6-18-17-5-4-16-12-22(28)26-11-10-23(16,2)19(17)8-9-24(18,20)3/h7,13-14,16-19H,4-6,8-12H2,1-3H3,(H,26,28)
InChIKeyHCMZONIQIULXOI-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one with MolForge

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Related Compounds

(1S,2S,8S,11R,12S,16S)-15-(6-ethylpyrazin-2-yl)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 53312170
(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-15-(triazol-1-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one;(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-15-(triazol-1-yl)-6-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
CID 162205340
(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-pyridin-3-yl-3,3b,4,5,8,8a,8b,9,10,10a-decahydro-1H-indeno[5,4-e]inden-2-one;(1S,2R,11S,12S,16S)-2,16-dimethyl-15-pyrazin-2-yl-7-oxa-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one;(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-6-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one;(1S,2R,11S,12S,16S)-15-(6-ethylpyrazin-2-yl)-2,16-dimethyl-7-oxa-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 159412346
(1S,2S,8S,11R,12S,16S)-15-(5-ethyl-3-pyridinyl)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 53311151
3-[(9S,10S,13S,14S)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-fluoropyridine
CID 134149073
(1S,2S,8S,11R,12S,16S)-15-(5-ethoxy-3-pyridinyl)-2,5,16-trimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 58356550
(1S,2R,11S,12S,16S)-15-(5-ethoxy-3-pyridinyl)-2,16-dimethyl-7-oxa-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 53312007
3-(2,16-dimethyl-15-tetracyclo[9.7.0.02,8.012,16]octadec-14-enyl)pyridine
CID 76533728
N-[10,13-dimethyl-17-(5-methyl-3-pyridinyl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylacetamide
CID 77405395
3-[(3S,10S,13S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine
CID 122644566
1-(3a,5a-dimethyl-6-pyrazin-2-yl-3,3b,4,5,8,8a,8b,9,10,10a-decahydro-2H-indeno[5,4-e]indol-1-yl)ethanone
CID 76732085
10a,12a-dimethyl-1-(5-methyl-3-pyridinyl)-3a,3b,4,5,8,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepin-7-one
CID 77405375

Frequently Asked Questions

What is the IUPAC name of 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one?
The IUPAC name of 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one (CID 76732030) is 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one.
What is the SMILES notation for 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one?
The canonical SMILES for 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one is Cc1cncc(C2=CCC3C4CCC5CC(=O)NCCC5(C)C4CCC23C)n1.
What is the InChIKey of 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one?
The InChIKey is HCMZONIQIULXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-15-13-25-14-21(27-15)20-7-6-18-17-5-4-16-12-22(28)26-11-10-23(16,2)19(17)8-9-24(18,20)3/h7,13-14,16-19H,4-6,8-12H2,1-3H3,(H,26,28).
What are the key properties of 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one?
2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one has a molecular weight of 379.55 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16-dimethyl-15-(6-methylpyrazin-2-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one is sourced from PubChem (CID 76732030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).